Accuracy

Pr_(POPJAF) r   6588 Praseodymium complex, CCDC: POPJAF (Geo)

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    #  Species Formula
  6578 Praseodymium complex, CCDC: PEHXIJ (Geo)C13H26N3O14Pr
  6579 Praseodymium complex, CCDC: RUGQUF (Geo)C22H26N3O14Pr
  6580 Praseodymium complex, CCDC: QOVXII (Geo)C8H20O15Pr
  6581 Praseodymium complex, CCDC: SERWOB01 (Geo)C12H24N3O15Pr
  6582 Praseodymium complex, CCDC: HEDKAC (Geo)C22H28N5O16Pr
  6583 Praseodymium complex, CCDC: QISQEO (Geo)C8H12N16O16Pr
  6584 Praseodymium complex, CCDC: LEJSOI (Geo)C12H16N6O20Pr
  6585 Praseodymium complex, CCDC: KUSXUR (Geo)C42H75N6O3Si6Pr
  6586 Praseodymium complex, CCDC: ZIFYOC (Geo)C50H46N5O21P4Pr
  6587 Praseodymium complex, CCDC: RASROS (Geo)C12H32N3O23P4Pr
  6588 Praseodymium complex, CCDC: POPJAF (Geo) C22H36N3O23P4Pr
  6589 Praseodymium complex, CCDC: ZAXRUL (Geo)C72H60N3O6P6Pr
  6590 Praseodymium complex, CCDC: ZAXSEW (Geo)C75H66N3O7P6Pr
  6591 Praseodymium complex, CCDC: FAGYIW (Geo)C7H20NO11SPr
  6592 Praseodymium complex, CCDC: DIYMUT (Geo)C20H26O12S2Pr
  6593 Praseodymium complex, CCDC: EFUJEU (Geo)C15H30N6O9F9S3Pr
  6594 Praseodymium complex, CCDC: DORDIX (Geo)C48H40N3O13S4Pr
  6595 Praseodymium complex, CCDC: ZOSGUJ (Geo)C50H69N4O12Pr2
  6596 Praseodymium complex, CCDC: PEHHIP (Geo)C32H28N6O14Pr2
  6597 Praseodymium complex, CCDC: QOBBIS (Geo)C52H36N6O14Pr2
  6598 Praseodymium complex, CCDC: JERWOS (Geo)C4H30O16Pr2


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PM7 SPARKLES
Praseodymium complex, CCDC: POPJAF
 <Pr-O2> <Pr-O3> <> <Pr-O4> <> <> <Pr-O5> <> <> <Pr-O6> <> <> <Pr-O7> GR=CCDC
 Pr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.45930001 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.45933623 +1  136.1466214 +1    0.0000000 +0     1     2     0
  O     2.45960023 +1   61.1075464 +1 -170.2953569 +1     1     2     3
  O     2.45966100 +1  162.0343802 +1  168.3630361 +1     1     2     3
  O     2.56641236 +1   86.6852760 +1  106.3893065 +1     1     2     3
  O     2.56741572 +1  104.4504986 +1  -97.8790512 +1     1     2     3
  O     3.56022696 +1   68.2802350 +1  -18.4148948 +1     1     2     3
  O     2.14676343 +1   72.7881397 +1   90.8496072 +1     8     1     2
  O     2.15236311 +1  141.7176430 +1   16.2461939 +1     6     1     2
  O     2.15629990 +1  132.4253826 +1  157.4049262 +1     7     1     2
  P     1.64833440 +1  173.2484600 +1 -176.6102317 +1     3     1     2
  P     1.66378121 +1  170.0762030 +1 -172.8775559 +1     5     1     2
  N     1.25337440 +1   31.1975013 +1  175.4659765 +1     9     8     1
  C     1.89686923 +1  102.1680931 +1  -21.5649489 +1    13     5     1
  O     1.57836112 +1  114.7085722 +1 -128.8127963 +1    12     3     1
  C     1.46333281 +1  116.2874514 +1    9.7016131 +1    16    12     3
  O     1.57831051 +1  112.8277879 +1  105.1650534 +1    12     3     1
  C     1.46511230 +1  116.4644342 +1    9.5256906 +1    18    12     3
  O     1.58787259 +1  110.8974462 +1   99.3361976 +1    13     5     1
  C     1.45448492 +1  118.5083459 +1   34.1143912 +1    20    13     5
  N     1.22136940 +1   31.6420632 +1  122.9440043 +1    10     6     1
  C     2.63452121 +1   85.2506171 +1 -145.1903571 +1    13     5     1
  C     1.51261298 +1  114.2259651 +1 -177.2784715 +1    15    13     5
  C     1.39797101 +1  118.7950709 +1   95.9197950 +1    24    15    13
  C     1.39233439 +1  119.6851606 +1  179.1831159 +1    25    24    15
  C     1.39451741 +1  120.1650743 +1   -0.7965348 +1    26    25    24
  C     1.39327887 +1  120.0247203 +1    0.0089565 +1    27    26    25
  C     1.39649976 +1  120.8867101 +1  -85.9106796 +1    24    15    13
  N     1.22357640 +1   31.4694554 +1  127.9191102 +1    11     7     1
  O     1.22658216 +1  121.2765590 +1  179.9682480 +1    14     9     8
  O     1.22725680 +1  124.0064028 +1 -179.5761831 +1    22    10     6
  O     1.22728441 +1  123.6632065 +1 -179.8881346 +1    30    11     7
  P     1.64696595 +1  173.0198023 +1  171.6199940 +1     2     1     3
  P     1.66154450 +1  171.2066983 +1    5.0528204 +1     4     1     2
  O     1.61283707 +1  105.6788927 +1  -12.9130930 +1    34     2     1
  O     1.44665456 +1  109.0146051 +1   68.0500298 +1    15    13     5
  O     1.57656121 +1  114.3897232 +1 -126.4895040 +1    34     2     1
  O     1.57930094 +1  112.9147421 +1  107.0054728 +1    34     2     1
  C     1.44676904 +1  120.6462616 +1   62.4881445 +1    36    34     2
  O     1.58620146 +1  111.2370408 +1   95.7206214 +1    35     4     1
  O     1.59548435 +1  111.6043081 +1 -140.7273683 +1    35     4     1
  O     1.44833880 +1   31.6532333 +1  163.5119211 +1    23    13     5
  C     1.46382718 +1  116.4990041 +1   13.8151857 +1    38    34     2
  C     1.46406506 +1  116.7028406 +1   13.5760408 +1    39    34     2
  C     1.51437999 +1  102.5061157 +1  141.3943337 +1    40    36    34
  C     1.45539709 +1  118.4327343 +1   34.8759195 +1    41    35     4
  C     1.44994918 +1  119.4775922 +1  -12.5355555 +1    42    35     4
  C     1.39804353 +1  118.9383355 +1 -146.1257840 +1    46    40    36
  C     1.39656150 +1  120.7542687 +1   32.0733230 +1    46    40    36
  C     1.39229335 +1  119.6890319 +1  179.1568578 +1    49    46    40
  C     1.39427292 +1  119.6456114 +1 -178.5087474 +1    50    46    40
  C     1.39465712 +1  120.1708369 +1   -0.8216203 +1    51    49    46
  H     1.15621445 +1  102.6062582 +1  -56.2219082 +1    15    13     5
  H     1.10594968 +1   96.4983358 +1 -174.6412747 +1    17    16    12
  H     1.11051841 +1  114.9914498 +1  -59.6190993 +1    17    16    12
  H     1.09829512 +1  113.9172866 +1   69.0918499 +1    17    16    12
  H     1.10421403 +1   96.8338969 +1  172.5159679 +1    19    18    12
  H     1.10623603 +1  112.7328008 +1  -71.5866107 +1    19    18    12
  H     1.10411209 +1  115.8376403 +1   56.2795357 +1    19    18    12
  H     1.10473404 +1   97.9408700 +1 -162.1687139 +1    21    20    13
  H     1.10779523 +1  116.9468481 +1  -45.8695368 +1    21    20    13
  H     1.09705686 +1  111.3300063 +1   81.7693127 +1    21    20    13
  H     1.10602372 +1  129.2649609 +1  162.0165142 +1    23    13     5
  H     1.09664993 +1   98.1097629 +1  -72.9519514 +1    23    13     5
  H     1.10444504 +1   97.3702935 +1   39.1076209 +1    23    13     5
  H     1.09154111 +1  120.5335027 +1   -0.9704331 +1    25    24    15
  H     1.08803983 +1  119.9140665 +1  179.3608460 +1    26    25    24
  H     1.08781718 +1  119.9600316 +1 -179.9276180 +1    27    26    25
  H     1.08762160 +1  120.0072150 +1 -179.6410028 +1    28    27    26
  H     1.09171882 +1  120.6846244 +1    1.3245979 +1    29    24    15
  H     1.14937638 +1  116.1087603 +1   19.4634767 +1    40    36    34
  H     1.10609696 +1   96.4839722 +1 -174.2848854 +1    44    38    34
  H     1.11081587 +1  115.2082329 +1  -59.2354223 +1    44    38    34
  H     1.09818177 +1  113.8410591 +1   69.4641822 +1    44    38    34
  H     1.10462127 +1   96.9321474 +1  172.6974488 +1    45    39    34
  H     1.10661971 +1  112.9490979 +1  -71.5477180 +1    45    39    34
  H     1.10189981 +1  115.7445281 +1   56.3946517 +1    45    39    34
  H     1.10491361 +1   97.7743805 +1 -163.0197120 +1    47    41    35
  H     1.10921365 +1  116.8236041 +1  -46.9606036 +1    47    41    35
  H     1.09668394 +1  111.5504740 +1   80.8925240 +1    47    41    35
  H     1.10553611 +1   97.6138899 +1 -179.7357799 +1    48    42    35
  H     1.09719143 +1  114.2130821 +1  -63.2007674 +1    48    42    35
  H     1.10451427 +1  113.7535056 +1   64.5615877 +1    48    42    35
  H     1.09047834 +1  120.6268460 +1   -1.1217342 +1    49    46    40
  H     1.09206243 +1  120.7071806 +1    1.5261285 +1    50    46    40
  H     1.08814146 +1  119.9274794 +1  179.3372425 +1    51    49    46
  H     1.08799338 +1  119.8008063 +1  179.8480698 +1    52    50    46
  H     1.08806905 +1  119.9545708 +1 -179.9011518 +1    53    51    49